Match Unnormalized charge
Commits >
Commit 9cd8be12b3755ae83838647d0fe27e1f4e47031c >
Run eb_foss-2022a_mpi_debug >
Input 17-hgh_occupations.04-Au_sc.inp
Value | Reference | Precision | Status |
1.818523990000000e+02 | 1.816116630000000e+02 | 2.650000000000000e-01 | PASS |
Command: GREPFIELD(out, 'Unnormalized total charge = ', 6)